Back to Resultset

ID	395	NAME	Pen13Arg   Blast NCBI-PROT
LENGTH	13	DISULFIDE BRIDGE			View PDB REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\pdb_HM_final\RIWFQNRRMRWRR.pdb REMARK YASARA Written on: Wed May 14 11:26:43 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 282 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 2.60 ANGSTROMS. REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 100.15000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 32.65500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 32.65500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 150.22500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 32.65500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 32.65500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 50.07500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 32.65500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 32.65500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 150.22500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 32.65500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 32.65500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 50.07500 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 100.15000 COMPND MOL_ID: 1; COMPND 2 MOLECULE: HOMEOTIC PROTEIN SEX COMBS REDUCED; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: HOMEOBOX PROTEIN EXTRADENTICLE; COMPND 6 MOL_ID: 3; COMPND 7 MOLECULE: DNA (5'-; COMPND 8 MOL_ID: 4; COMPND 9 MOLECULE: DNA (5'-; SEQRES 1 A 13 ARG ILE TRP PHE GLN ASN ARG ARG MET ARG TRP ARG ARG CRYST1 65.310 65.310 200.300 90.00 90.00 90.00 P 43 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.015312 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015312 0.000000 0.00000 SCALE3 0.000000 0.000000 0.004993 0.00000 ATOM 1 N ARG A 1 84.101 -14.841 -1.399 1.00 -5.85 N ATOM 2 1H ARG A 1 83.848 -14.053 -0.819 1.00 -5.85 H ATOM 3 2H ARG A 1 84.946 -15.260 -1.038 1.00 -5.85 H ATOM 4 3H ARG A 1 83.352 -15.520 -1.374 1.00 -5.85 H ATOM 5 CA ARG A 1 84.316 -14.377 -2.806 1.00 -5.85 C ATOM 6 HA ARG A 1 83.386 -13.925 -3.153 1.00 -5.85 H ATOM 7 C ARG A 1 84.634 -15.544 -3.739 1.00 -5.85 C ATOM 8 O ARG A 1 83.843 -15.829 -4.623 1.00 -5.85 O ATOM 9 CB ARG A 1 85.427 -13.315 -2.889 1.00 -5.85 C ATOM 10 1HB ARG A 1 85.297 -12.612 -2.066 1.00 -5.85 H ATOM 11 2HB ARG A 1 86.398 -13.795 -2.767 1.00 -5.85 H ATOM 12 CG ARG A 1 85.424 -12.512 -4.200 1.00 -5.85 C ATOM 13 1HG ARG A 1 85.304 -13.184 -5.049 1.00 -5.85 H ATOM 14 2HG ARG A 1 84.579 -11.822 -4.179 1.00 -5.85 H ATOM 15 CD ARG A 1 86.714 -11.710 -4.388 1.00 -5.85 C ATOM 16 1HD ARG A 1 86.495 -10.831 -4.998 1.00 -5.85 H ATOM 17 2HD ARG A 1 87.079 -11.379 -3.415 1.00 -5.85 H ATOM 18 NE ARG A 1 87.742 -12.506 -5.074 1.00 -5.85 N ATOM 19 HE ARG A 1 87.429 -13.341 -5.564 1.00 -5.85 H ATOM 20 CZ ARG A 1 89.030 -12.215 -5.196 1.00 -5.85 C ATOM 21 NH1 ARG A 1 89.771 -13.038 -5.882 1.00 -5.85 N ATOM 22 1HH1 ARG A 1 89.350 -13.848 -6.314 1.00 -5.85 H ATOM 23 2HH1 ARG A 1 90.756 -12.863 -5.993 1.00 -5.85 H ATOM 24 NH2 ARG A 1 89.596 -11.158 -4.674 1.00 -5.85 N ATOM 25 1HH2 ARG A 1 89.043 -10.494 -4.160 1.00 -5.85 H ATOM 26 2HH2 ARG A 1 90.582 -10.998 -4.796 1.00 -5.85 H ATOM 27 N ILE A 2 85.778 -16.202 -3.578 1.00-15.48 N ATOM 28 H ILE A 2 86.365 -16.045 -2.773 1.00-15.48 H ATOM 29 CA ILE A 2 86.328 -17.078 -4.624 1.00-15.48 C ATOM 30 HA ILE A 2 86.415 -16.487 -5.534 1.00-15.48 H ATOM 31 C ILE A 2 85.419 -18.259 -4.977 1.00-15.48 C ATOM 32 O ILE A 2 85.232 -18.547 -6.148 1.00-15.48 O ATOM 33 CB ILE A 2 87.770 -17.554 -4.244 1.00-15.48 C ATOM 34 HB ILE A 2 87.712 -18.146 -3.329 1.00-15.48 H ATOM 35 CG1 ILE A 2 88.675 -16.326 -3.984 1.00-15.48 C ATOM 36 1HG1 ILE A 2 88.799 -15.785 -4.922 1.00-15.48 H ATOM 37 2HG1 ILE A 2 88.190 -15.658 -3.276 1.00-15.48 H ATOM 38 CG2 ILE A 2 88.382 -18.431 -5.362 1.00-15.48 C ATOM 39 1HG2 ILE A 2 89.376 -18.781 -5.079 1.00-15.48 H ATOM 40 2HG2 ILE A 2 88.452 -17.872 -6.298 1.00-15.48 H ATOM 41 3HG2 ILE A 2 87.768 -19.318 -5.528 1.00-15.48 H ATOM 42 CD1 ILE A 2 90.070 -16.630 -3.417 1.00-15.48 C ATOM 43 1HD1 ILE A 2 90.572 -15.696 -3.164 1.00-15.48 H ATOM 44 2HD1 ILE A 2 90.675 -17.159 -4.155 1.00-15.48 H ATOM 45 3HD1 ILE A 2 89.985 -17.241 -2.517 1.00-15.48 H ATOM 46 N TRP A 3 84.738 -18.852 -4.005 1.00-11.36 N ATOM 47 H TRP A 3 84.899 -18.599 -3.048 1.00-11.36 H ATOM 48 CA TRP A 3 83.775 -19.920 -4.296 1.00-11.36 C ATOM 49 HA TRP A 3 84.322 -20.771 -4.705 1.00-11.36 H ATOM 50 C TRP A 3 82.698 -19.541 -5.320 1.00-11.36 C ATOM 51 O TRP A 3 82.275 -20.368 -6.119 1.00-11.36 O ATOM 52 CB TRP A 3 83.101 -20.359 -2.993 1.00-11.36 C ATOM 53 1HB TRP A 3 83.874 -20.586 -2.258 1.00-11.36 H ATOM 54 2HB TRP A 3 82.490 -19.539 -2.615 1.00-11.36 H ATOM 55 CG TRP A 3 82.229 -21.569 -3.161 1.00-11.36 C ATOM 56 CD1 TRP A 3 82.596 -22.871 -3.021 1.00-11.36 C ATOM 57 HD1 TRP A 3 83.595 -23.195 -2.752 1.00-11.36 H ATOM 58 CD2 TRP A 3 80.827 -21.599 -3.491 1.00-11.36 C ATOM 59 NE1 TRP A 3 81.542 -23.716 -3.241 1.00-11.36 N ATOM 60 HE1 TRP A 3 81.585 -24.722 -3.144 1.00-11.36 H ATOM 61 CE2 TRP A 3 80.440 -22.969 -3.562 1.00-11.36 C ATOM 62 CE3 TRP A 3 79.855 -20.607 -3.737 1.00-11.36 C ATOM 63 HE3 TRP A 3 80.113 -19.562 -3.671 1.00-11.36 H ATOM 64 CZ2 TRP A 3 79.127 -23.366 -3.891 1.00-11.36 C ATOM 65 HZ2 TRP A 3 78.859 -24.412 -3.930 1.00-11.36 H ATOM 66 CZ3 TRP A 3 78.531 -21.001 -4.054 1.00-11.36 C ATOM 67 HZ3 TRP A 3 77.777 -20.248 -4.220 1.00-11.36 H ATOM 68 CH2 TRP A 3 78.186 -22.382 -4.136 1.00-11.36 C ATOM 69 HH2 TRP A 3 77.170 -22.665 -4.374 1.00-11.36 H ATOM 70 N PHE A 4 82.279 -18.284 -5.353 1.00-17.10 N ATOM 71 H PHE A 4 82.673 -17.605 -4.720 1.00-17.10 H ATOM 72 CA PHE A 4 81.267 -17.839 -6.310 1.00-17.10 C ATOM 73 HA PHE A 4 80.506 -18.612 -6.400 1.00-17.10 H ATOM 74 C PHE A 4 81.871 -17.606 -7.692 1.00-17.10 C ATOM 75 O PHE A 4 81.202 -17.769 -8.710 1.00-17.10 O ATOM 76 CB PHE A 4 80.591 -16.568 -5.801 1.00-17.10 C ATOM 77 1HB PHE A 4 81.345 -15.795 -5.659 1.00-17.10 H ATOM 78 2HB PHE A 4 79.885 -16.224 -6.557 1.00-17.10 H ATOM 79 CG PHE A 4 79.846 -16.775 -4.512 1.00-17.10 C ATOM 80 CD1 PHE A 4 80.488 -16.593 -3.272 1.00-17.10 C ATOM 81 HD1 PHE A 4 81.510 -16.255 -3.244 1.00-17.10 H ATOM 82 CD2 PHE A 4 78.502 -17.191 -4.534 1.00-17.10 C ATOM 83 HD2 PHE A 4 77.993 -17.316 -5.478 1.00-17.10 H ATOM 84 CE1 PHE A 4 79.807 -16.858 -2.058 1.00-17.10 C ATOM 85 HE1 PHE A 4 80.306 -16.729 -1.109 1.00-17.10 H ATOM 86 CE2 PHE A 4 77.804 -17.446 -3.327 1.00-17.10 C ATOM 87 HE2 PHE A 4 76.769 -17.754 -3.350 1.00-17.10 H ATOM 88 CZ PHE A 4 78.462 -17.289 -2.089 1.00-17.10 C ATOM 89 HZ PHE A 4 77.935 -17.490 -1.166 1.00-17.10 H ATOM 90 N GLN A 5 83.160 -17.307 -7.744 1.00-17.76 N ATOM 91 H GLN A 5 83.687 -17.193 -6.888 1.00-17.76 H ATOM 92 CA GLN A 5 83.865 -17.230 -9.022 1.00-17.76 C ATOM 93 HA GLN A 5 83.287 -16.625 -9.721 1.00-17.76 H ATOM 94 C GLN A 5 83.963 -18.658 -9.555 1.00-17.76 C ATOM 95 O GLN A 5 83.750 -18.913 -10.734 1.00-17.76 O ATOM 96 CB GLN A 5 85.269 -16.634 -8.855 1.00-17.76 C ATOM 97 1HB GLN A 5 85.841 -17.264 -8.180 1.00-17.76 H ATOM 98 2HB GLN A 5 85.767 -16.644 -9.824 1.00-17.76 H ATOM 99 CG GLN A 5 85.286 -15.210 -8.305 1.00-17.76 C ATOM 100 1HG GLN A 5 84.779 -14.553 -9.011 1.00-17.76 H ATOM 101 2HG GLN A 5 84.755 -15.180 -7.355 1.00-17.76 H ATOM 102 CD GLN A 5 86.693 -14.698 -8.074 1.00-17.76 C ATOM 103 OE1 GLN A 5 87.145 -14.572 -6.935 1.00-17.76 O ATOM 104 NE2 GLN A 5 87.392 -14.384 -9.131 1.00-17.76 N ATOM 105 1HE2 GLN A 5 88.329 -14.040 -9.020 1.00-17.76 H ATOM 106 2HE2 GLN A 5 86.998 -14.494 -10.051 1.00-17.76 H ATOM 107 N ASN A 6 84.200 -19.612 -8.665 1.00-21.16 N ATOM 108 H ASN A 6 84.358 -19.362 -7.691 1.00-21.16 H ATOM 109 CA ASN A 6 84.258 -21.016 -9.064 1.00-21.16 C ATOM 110 HA ASN A 6 84.901 -21.104 -9.939 1.00-21.16 H ATOM 111 C ASN A 6 82.866 -21.519 -9.442 1.00-21.16 C ATOM 112 O ASN A 6 82.723 -22.362 -10.313 1.00-21.16 O ATOM 113 CB ASN A 6 84.812 -21.907 -7.947 1.00-21.16 C ATOM 114 1HB ASN A 6 84.136 -21.874 -7.096 1.00-21.16 H ATOM 115 2HB ASN A 6 84.868 -22.929 -8.314 1.00-21.16 H ATOM 116 CG ASN A 6 86.177 -21.493 -7.464 1.00-21.16 C ATOM 117 OD1 ASN A 6 86.371 -21.341 -6.272 1.00-21.16 O ATOM 118 ND2 ASN A 6 87.124 -21.335 -8.347 1.00-21.16 N ATOM 119 1HD2 ASN A 6 88.044 -21.090 -8.020 1.00-21.16 H ATOM 120 2HD2 ASN A 6 86.945 -21.456 -9.331 1.00-21.16 H ATOM 121 N ARG A 7 81.819 -20.990 -8.824 1.00-14.55 N ATOM 122 H ARG A 7 81.977 -20.369 -8.035 1.00-14.55 H ATOM 123 CA ARG A 7 80.445 -21.303 -9.229 1.00-14.55 C ATOM 124 HA ARG A 7 80.315 -22.381 -9.211 1.00-14.55 H ATOM 125 C ARG A 7 80.201 -20.847 -10.661 1.00-14.55 C ATOM 126 O ARG A 7 79.572 -21.569 -11.420 1.00-14.55 O ATOM 127 CB ARG A 7 79.439 -20.662 -8.265 1.00-14.55 C ATOM 128 1HB ARG A 7 79.730 -20.918 -7.246 1.00-14.55 H ATOM 129 2HB ARG A 7 79.487 -19.582 -8.374 1.00-14.55 H ATOM 130 CG ARG A 7 77.990 -21.092 -8.468 1.00-14.55 C ATOM 131 1HG ARG A 7 77.665 -20.814 -9.471 1.00-14.55 H ATOM 132 2HG ARG A 7 77.916 -22.173 -8.351 1.00-14.55 H ATOM 133 CD ARG A 7 77.092 -20.410 -7.443 1.00-14.55 C ATOM 134 1HD ARG A 7 77.460 -20.651 -6.448 1.00-14.55 H ATOM 135 2HD ARG A 7 77.149 -19.330 -7.586 1.00-14.55 H ATOM 136 NE ARG A 7 75.688 -20.840 -7.551 1.00-14.55 N ATOM 137 HE ARG A 7 75.469 -21.475 -8.302 1.00-14.55 H ATOM 138 CZ ARG A 7 74.688 -20.466 -6.760 1.00-14.55 C ATOM 139 NH1 ARG A 7 73.491 -20.925 -6.999 1.00-14.55 N ATOM 140 1HH1 ARG A 7 73.328 -21.543 -7.776 1.00-14.55 H ATOM 141 2HH1 ARG A 7 72.721 -20.656 -6.410 1.00-14.55 H ATOM 142 NH2 ARG A 7 74.836 -19.662 -5.736 1.00-14.55 N ATOM 143 1HH2 ARG A 7 75.744 -19.288 -5.524 1.00-14.55 H ATOM 144 2HH2 ARG A 7 74.046 -19.421 -5.162 1.00-14.55 H ATOM 145 N ARG A 8 80.749 -19.707 -11.060 1.00-17.84 N ATOM 146 H ARG A 8 81.247 -19.125 -10.392 1.00-17.84 H ATOM 147 CA ARG A 8 80.658 -19.284 -12.461 1.00-17.84 C ATOM 148 HA ARG A 8 79.627 -19.408 -12.786 1.00-17.84 H ATOM 149 C ARG A 8 81.505 -20.154 -13.381 1.00-17.84 C ATOM 150 O ARG A 8 81.084 -20.444 -14.492 1.00-17.84 O ATOM 151 CB ARG A 8 81.030 -17.811 -12.643 1.00-17.84 C ATOM 152 1HB ARG A 8 82.008 -17.621 -12.203 1.00-17.84 H ATOM 153 2HB ARG A 8 81.089 -17.610 -13.713 1.00-17.84 H ATOM 154 CG ARG A 8 80.005 -16.859 -12.044 1.00-17.84 C ATOM 155 1HG ARG A 8 79.016 -17.128 -12.416 1.00-17.84 H ATOM 156 2HG ARG A 8 80.012 -16.946 -10.959 1.00-17.84 H ATOM 157 CD ARG A 8 80.298 -15.420 -12.441 1.00-17.84 C ATOM 158 1HD ARG A 8 81.285 -15.143 -12.068 1.00-17.84 H ATOM 159 2HD ARG A 8 80.297 -15.353 -13.531 1.00-17.84 H ATOM 160 NE ARG A 8 79.289 -14.495 -11.902 1.00-17.84 N ATOM 161 HE ARG A 8 78.594 -14.898 -11.296 1.00-17.84 H ATOM 162 CZ ARG A 8 79.205 -13.192 -12.143 1.00-17.84 C ATOM 163 NH1 ARG A 8 78.241 -12.511 -11.588 1.00-17.84 N ATOM 164 1HH1 ARG A 8 77.573 -12.968 -10.991 1.00-17.84 H ATOM 165 2HH1 ARG A 8 78.159 -11.523 -11.758 1.00-17.84 H ATOM 166 NH2 ARG A 8 80.037 -12.542 -12.918 1.00-17.84 N ATOM 167 1HH2 ARG A 8 80.784 -13.038 -13.370 1.00-17.84 H ATOM 168 2HH2 ARG A 8 79.924 -11.554 -13.070 1.00-17.84 H ATOM 169 N MET A 9 82.643 -20.649 -12.920 1.00-14.96 N ATOM 170 H MET A 9 82.985 -20.357 -12.011 1.00-14.96 H ATOM 171 CA MET A 9 83.426 -21.607 -13.714 1.00-14.96 C ATOM 172 HA MET A 9 83.615 -21.181 -14.700 1.00-14.96 H ATOM 173 C MET A 9 82.669 -22.922 -13.910 1.00-14.96 C ATOM 174 O MET A 9 82.798 -23.569 -14.935 1.00-14.96 O ATOM 175 CB MET A 9 84.765 -21.917 -13.038 1.00-14.96 C ATOM 176 1HB MET A 9 84.567 -22.305 -12.043 1.00-14.96 H ATOM 177 2HB MET A 9 85.269 -22.696 -13.609 1.00-14.96 H ATOM 178 CG MET A 9 85.703 -20.725 -12.910 1.00-14.96 C ATOM 179 1HG MET A 9 86.026 -20.408 -13.901 1.00-14.96 H ATOM 180 2HG MET A 9 85.171 -19.903 -12.439 1.00-14.96 H ATOM 181 SD MET A 9 87.145 -21.119 -11.891 1.00-14.96 S ATOM 182 CE MET A 9 88.134 -22.175 -12.975 1.00-14.96 C ATOM 183 1HE MET A 9 89.062 -22.445 -12.470 1.00-14.96 H ATOM 184 2HE MET A 9 88.371 -21.638 -13.894 1.00-14.96 H ATOM 185 3HE MET A 9 87.581 -23.083 -13.216 1.00-14.96 H ATOM 186 N ARG A 10 81.839 -23.298 -12.944 1.00 -3.77 N ATOM 187 H ARG A 10 81.800 -22.745 -12.094 1.00 -3.77 H ATOM 188 CA ARG A 10 80.988 -24.492 -13.046 1.00 -3.77 C ATOM 189 HA ARG A 10 81.532 -25.270 -13.585 1.00 -3.77 H ATOM 190 C ARG A 10 79.696 -24.237 -13.825 1.00 -3.77 C ATOM 191 O ARG A 10 78.872 -25.141 -13.973 1.00 -3.77 O ATOM 192 CB ARG A 10 80.643 -25.012 -11.642 1.00 -3.77 C ATOM 193 1HB ARG A 10 80.210 -24.197 -11.063 1.00 -3.77 H ATOM 194 2HB ARG A 10 79.894 -25.797 -11.741 1.00 -3.77 H ATOM 195 CG ARG A 10 81.834 -25.604 -10.884 1.00 -3.77 C ATOM 196 1HG ARG A 10 82.251 -26.413 -11.485 1.00 -3.77 H ATOM 197 2HG ARG A 10 82.603 -24.849 -10.742 1.00 -3.77 H ATOM 198 CD ARG A 10 81.423 -26.176 -9.522 1.00 -3.77 C ATOM 199 1HD ARG A 10 80.574 -26.845 -9.677 1.00 -3.77 H ATOM 200 2HD ARG A 10 82.247 -26.773 -9.131 1.00 -3.77 H ATOM 201 NE ARG A 10 81.049 -25.155 -8.525 1.00 -3.77 N ATOM 202 HE ARG A 10 80.086 -24.866 -8.533 1.00 -3.77 H ATOM 203 CZ ARG A 10 81.843 -24.618 -7.604 1.00 -3.77 C ATOM 204 NH1 ARG A 10 81.346 -23.749 -6.768 1.00 -3.77 N ATOM 205 1HH1 ARG A 10 80.374 -23.503 -6.802 1.00 -3.77 H ATOM 206 2HH1 ARG A 10 81.934 -23.312 -6.074 1.00 -3.77 H ATOM 207 NH2 ARG A 10 83.106 -24.929 -7.462 1.00 -3.77 N ATOM 208 1HH2 ARG A 10 83.524 -25.593 -8.091 1.00 -3.77 H ATOM 209 2HH2 ARG A 10 83.652 -24.513 -6.728 1.00 -3.77 H ATOM 210 N TRP A 11 79.515 -23.016 -14.305 1.00 -9.68 N ATOM 211 H TRP A 11 80.238 -22.328 -14.160 1.00 -9.68 H ATOM 212 CA TRP A 11 78.312 -22.605 -15.030 1.00 -9.68 C ATOM 213 HA TRP A 11 77.594 -23.422 -15.040 1.00 -9.68 H ATOM 214 C TRP A 11 78.603 -22.254 -16.489 1.00 -9.68 C ATOM 215 O TRP A 11 77.877 -22.690 -17.377 1.00 -9.68 O ATOM 216 CB TRP A 11 77.673 -21.428 -14.285 1.00 -9.68 C ATOM 217 1HB TRP A 11 77.047 -21.826 -13.487 1.00 -9.68 H ATOM 218 2HB TRP A 11 78.465 -20.846 -13.828 1.00 -9.68 H ATOM 219 CG TRP A 11 76.857 -20.502 -15.137 1.00 -9.68 C ATOM 220 CD1 TRP A 11 75.600 -20.708 -15.613 1.00 -9.68 C ATOM 221 HD1 TRP A 11 75.026 -21.608 -15.440 1.00 -9.68 H ATOM 222 CD2 TRP A 11 77.236 -19.194 -15.610 1.00 -9.68 C ATOM 223 NE1 TRP A 11 75.163 -19.641 -16.350 1.00 -9.68 N ATOM 224 HE1 TRP A 11 74.264 -19.592 -16.808 1.00 -9.68 H ATOM 225 CE2 TRP A 11 76.142 -18.686 -16.365 1.00 -9.68 C ATOM 226 CE3 TRP A 11 78.391 -18.397 -15.471 1.00 -9.68 C ATOM 227 HE3 TRP A 11 79.240 -18.765 -14.925 1.00 -9.68 H ATOM 228 CZ2 TRP A 11 76.171 -17.412 -16.972 1.00 -9.68 C ATOM 229 HZ2 TRP A 11 75.328 -17.054 -17.545 1.00 -9.68 H ATOM 230 CZ3 TRP A 11 78.425 -17.112 -16.073 1.00 -9.68 C ATOM 231 HZ3 TRP A 11 79.305 -16.495 -15.975 1.00 -9.68 H ATOM 232 CH2 TRP A 11 77.307 -16.637 -16.820 1.00 -9.68 C ATOM 233 HH2 TRP A 11 77.350 -15.660 -17.280 1.00 -9.68 H ATOM 234 N ARG A 12 79.682 -21.528 -16.751 1.00 -0.15 N ATOM 235 H ARG A 12 80.258 -21.196 -15.983 1.00 -0.15 H ATOM 236 CA ARG A 12 80.091 -21.196 -18.119 1.00 -0.15 C ATOM 237 HA ARG A 12 79.243 -21.344 -18.790 1.00 -0.15 H ATOM 238 C ARG A 12 81.198 -22.161 -18.533 1.00 -0.15 C ATOM 239 O ARG A 12 82.391 -21.861 -18.412 1.00 -0.15 O ATOM 240 CB ARG A 12 80.535 -19.729 -18.207 1.00 -0.15 C ATOM 241 1HB ARG A 12 79.767 -19.109 -17.751 1.00 -0.15 H ATOM 242 2HB ARG A 12 81.448 -19.601 -17.627 1.00 -0.15 H ATOM 243 CG ARG A 12 80.750 -19.226 -19.643 1.00 -0.15 C ATOM 244 1HG ARG A 12 80.727 -20.077 -20.324 1.00 -0.15 H ATOM 245 2HG ARG A 12 79.935 -18.552 -19.908 1.00 -0.15 H ATOM 246 CD ARG A 12 82.086 -18.503 -19.823 1.00 -0.15 C ATOM 247 1HD ARG A 12 82.147 -18.123 -20.843 1.00 -0.15 H ATOM 248 2HD ARG A 12 82.148 -17.672 -19.120 1.00 -0.15 H ATOM 249 NE ARG A 12 83.189 -19.443 -19.581 1.00 -0.15 N ATOM 250 HE ARG A 12 82.919 -20.361 -19.229 1.00 -0.15 H ATOM 251 CZ ARG A 12 84.485 -19.238 -19.741 1.00 -0.15 C ATOM 252 NH1 ARG A 12 85.289 -20.216 -19.429 1.00 -0.15 N ATOM 253 1HH1 ARG A 12 84.897 -21.080 -19.072 1.00 -0.15 H ATOM 254 2HH1 ARG A 12 86.280 -20.123 -19.548 1.00 -0.15 H ATOM 255 NH2 ARG A 12 84.998 -18.121 -20.192 1.00 -0.15 N ATOM 256 1HH2 ARG A 12 84.386 -17.367 -20.449 1.00 -0.15 H ATOM 257 2HH2 ARG A 12 85.993 -18.021 -20.285 1.00 -0.15 H ATOM 258 N ARG A 13 80.791 -23.333 -18.989 1.00 -7.88 N ATOM 259 H ARG A 13 79.796 -23.522 -19.097 1.00 -7.88 H ATOM 260 CA ARG A 13 81.674 -24.425 -19.391 1.00 -7.88 C ATOM 261 HA ARG A 13 82.515 -24.069 -19.982 1.00 -7.88 H ATOM 262 C ARG A 13 80.755 -25.237 -20.279 1.00 -7.88 C ATOM 263 O ARG A 13 79.553 -24.892 -20.199 1.00 -7.88 O ATOM 264 OXT ARG A 13 81.173 -26.177 -20.961 1.00 -7.88 O ATOM 265 CB ARG A 13 82.178 -25.234 -18.178 1.00 -7.88 C ATOM 266 1HB ARG A 13 82.618 -26.165 -18.535 1.00 -7.88 H ATOM 267 2HB ARG A 13 82.973 -24.651 -17.712 1.00 -7.88 H ATOM 268 CG ARG A 13 81.155 -25.552 -17.074 1.00 -7.88 C ATOM 269 1HG ARG A 13 81.701 -25.819 -16.170 1.00 -7.88 H ATOM 270 2HG ARG A 13 80.578 -24.658 -16.847 1.00 -7.88 H ATOM 271 CD ARG A 13 80.187 -26.688 -17.380 1.00 -7.88 C ATOM 272 1HD ARG A 13 79.965 -26.718 -18.443 1.00 -7.88 H ATOM 273 2HD ARG A 13 80.645 -27.634 -17.092 1.00 -7.88 H ATOM 274 NE ARG A 13 78.945 -26.481 -16.626 1.00 -7.88 N ATOM 275 HE ARG A 13 78.978 -26.688 -15.640 1.00 -7.88 H ATOM 276 CZ ARG A 13 77.809 -25.985 -17.096 1.00 -7.88 C ATOM 277 NH1 ARG A 13 76.835 -25.804 -16.253 1.00 -7.88 N ATOM 278 1HH1 ARG A 13 76.993 -25.981 -15.274 1.00 -7.88 H ATOM 279 2HH1 ARG A 13 75.956 -25.454 -16.580 1.00 -7.88 H ATOM 280 NH2 ARG A 13 77.592 -25.650 -18.338 1.00 -7.88 N ATOM 281 1HH2 ARG A 13 78.353 -25.693 -19.024 1.00 -7.88 H ATOM 282 2HH2 ARG A 13 76.709 -25.283 -18.623 1.00 -7.88 H TER 283 ARG A 13 END
SEQUENCE	RIWFQNRRMRWRR
HELICITY	15.40	INSTAB. INDEX	135.62	FLEXIBILITY	6.75
a HYD. MOM.	20.18	b HYD. MOM.	2.39	c HYD. MOM	1.88
a MEAN HYD. MOM.	1.55	b MEAN HYD. MOM.	0.18	c MEAN HYD. MOM.	0.14
CHARGE pH5	6.00	CHARGE pH7	6.00	CHARGE pH9	5.83
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	12.70	BOMAN INDEX	6.68
ΔG	5	CPP	0,85	MLP	-1,46
MOLECULAR VOLUME		POLARITY
MIC E. coli	32	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	32	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	2013
TITLE PAPER	Antimicrobial and cell-penetrating properties of penetratin analogs: Effect of sequence and secondary structure